About OPSIN (name to structure)
The Open Parser for Systematic IUPAC Nomenclature from the University of Cambridge. It interprets the name itself, so it works for new compounds from your own synthesis that PubChem has never seen, and returns SMILES, InChI and InChIKey.
Questions you can ask OPSIN
Type them into Kahubi’s chat once OPSIN is connected.
“Convert 2-(4-isobutylphenyl)propanoic acid to SMILES and an InChIKey.”
What comes back: The structure derived from the name itself, as SMILES, InChI and InChIKey.
“I synthesised N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine. What is its SMILES?”
What comes back: SMILES and InChIKey parsed from the systematic name, even for a compound no database lists.
OPSIN MCP tools
The 1 tool the OPSIN server offers to Kahubi. The assistant picks the right one for each question.
opsin_name_to_structureConvert a systematic (IUPAC) chemical name into a structure by rule, not by lookup: works for compounds no database lists.
Using OPSIN in Kahubi
- Hosted by Kahubi. Kahubi runs this server itself so it stays reliable enough for research use.
- Cited, checkable answers. Results are treated as retrieved material and cited with the source’s own identifiers, so you can open every record the answer relied on.
- Your files stay private. Only the search the assistant writes for your question is sent to OPSIN.
More chemistry & materials sources
- PubChemCompound identity, properties, similarity and substructure search, GHS safety data, from 119M compounds.
- ChEMBL (bioactivity)Drug-like molecules with measured bioactivities, targets and mechanisms of action, curated by EMBL-EBI.
- ChEBI (chemical ontology)Curated dictionary of chemical entities: definitions, classes, roles and synonyms.
- Crystallography Open DatabaseOver 500,000 open-access crystal structures: organic, inorganic, metal-organic and minerals.
- Rhea (biochemical reactions)Expert-curated, balanced biochemical reactions linked to enzymes and ChEBI compounds.